N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide

C19H25FN2O4 — CID 113164363

IUPACN-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCC(=O)N(CCc1ccc(F)cc1)CC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H25FN2O4/c1-15(23)22(9-6-16-2-4-17(20)5-3-16)14-18(24)21-10-7-19(8-11-21)25-12-13-26-19/h2-5H,6-14H2,1H3
InChIKeyYROSCXVGPOHUJF-UHFFFAOYSA-N
MW364.42 g/mol
LogP1.58
Rot. Bonds5

About N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide

N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 113164363) has the molecular formula C19H25FN2O4 and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID113164363
Molecular FormulaC19H25FN2O4
Molecular Weight364.42 g/mol
Exact Mass364.18
IUPAC NameN-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCC(=O)N(CCc1ccc(F)cc1)CC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C19H25FN2O4/c1-15(23)22(9-6-16-2-4-17(20)5-3-16)14-18(24)21-10-7-19(8-11-21)25-12-13-26-19/h2-5H,6-14H2,1H3
InChIKeyYROSCXVGPOHUJF-UHFFFAOYSA-N
XLogP1.58
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-(2-phenylethyl)acetamide
CID 113164001
N-[(3,4-dimethoxyphenyl)methyl]-N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]acetamide
CID 113165586
N-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113165395
N-[2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-2-oxoethyl]-N-(2-phenylethyl)acetamide
CID 97103334
N-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113162333
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-fluorophenyl)-5-methylhexan-1-one
CID 110355764
1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-[(4-fluorophenyl)methyl]piperazine-2,3-dione
CID 53063732
1-[2-[acetyl(2-phenylethyl)amino]acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 120529295
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113164380
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide
CID 113120592
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113164391
N-(2-morpholin-4-yl-2-oxoethyl)-N-(3-phenylpropyl)acetamide
CID 113165782

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 113164363) is N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide is CC(=O)N(CCc1ccc(F)cc1)CC(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is YROSCXVGPOHUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O4/c1-15(23)22(9-6-16-2-4-17(20)5-3-16)14-18(24)21-10-7-19(8-11-21)25-12-13-26-19/h2-5H,6-14H2,1H3.
What are the key properties of N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 364.42 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 113164363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).